N-[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-3-fluoro-benzamide CAS Name: N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-3-fluorobenzamide Traditional Name: N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]-3-fluoro-benzamide Formula: C27H27ClFN3O3 MolecularWeight: 495.972983

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)Cl

InChI

InChI=1S/C27H27ClFN3O3/c1-2-16-35-23-9-6-19(7-10-23)27(34)32-14-12-31(13-15-32)25-11-8-22(18-24(25)28)30-26(33)20-4-3-5-21(29)17-20/h3-11,17-18H,2,12-16H2,1H3,(H,30,33)